On the occurrence of stable and supersaturated metastable states in metallic core-shell nanoparticles

Autores
Oviedo, Oscar Alejandro; Mariscal, Marcelo; Leiva, Ezequiel Pedro M.
Año de publicación
2010
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Following the framework established by Hill and Chamberlin [T. L. Hill and R. V. Chamberlin, Proc. Natl. Acad. Sci. U. S. A., 1998, 95, 12779] to analyze the extension of thermodynamics of small systems to metastable states, we have adopted the same basic ideas to study the thermodynamic stability of core-shell nanoparticles. For the first time we are able to address the question of whether or not core-shell nanoparticles have a limit of stability when they are under oversaturation conditions. By the latter, we mean the excess of chemical potential of the adsorbate (shell) atoms with respect to its bulk material, which is the driving force for nanoparticle growth. In this situation the probability density exhibits multiple local maxima associated with different core-shell metastable states. The decrease of the free energy barriers for the growth of the bulk phase of the shell material is analyzed for increasing oversaturation. At large positive oversaturations, the barrier disappears and the core-shell NP become unstable with respect to the bulk deposit of the shell material. A brief discussion on the model is made illustrating its application to a specific system by means of computer simulations using realistic interatomic potentials. One of the most striking results of these specific studies is the occurrence or not of a core-shell under undersaturation conditions depending on nanoparticle size.
Fil: Oviedo, Oscar Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Mariscal, Marcelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Leiva, Ezequiel Pedro M.. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Materia
NANOPARTICLE
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/70465
Acceder
id CONICETDig_8a0e7d615de1567095606537a79ddda6
oai_identifier_str oai:ri.conicet.gov.ar:11336/70465
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling On the occurrence of stable and supersaturated metastable states in metallic core-shell nanoparticlesOviedo, Oscar AlejandroMariscal, MarceloLeiva, Ezequiel Pedro M.NANOPARTICLEhttps://purl.org/becyt/ford/2.10https://purl.org/becyt/ford/2Following the framework established by Hill and Chamberlin [T. L. Hill and R. V. Chamberlin, Proc. Natl. Acad. Sci. U. S. A., 1998, 95, 12779] to analyze the extension of thermodynamics of small systems to metastable states, we have adopted the same basic ideas to study the thermodynamic stability of core-shell nanoparticles. For the first time we are able to address the question of whether or not core-shell nanoparticles have a limit of stability when they are under oversaturation conditions. By the latter, we mean the excess of chemical potential of the adsorbate (shell) atoms with respect to its bulk material, which is the driving force for nanoparticle growth. In this situation the probability density exhibits multiple local maxima associated with different core-shell metastable states. The decrease of the free energy barriers for the growth of the bulk phase of the shell material is analyzed for increasing oversaturation. At large positive oversaturations, the barrier disappears and the core-shell NP become unstable with respect to the bulk deposit of the shell material. A brief discussion on the model is made illustrating its application to a specific system by means of computer simulations using realistic interatomic potentials. One of the most striking results of these specific studies is the occurrence or not of a core-shell under undersaturation conditions depending on nanoparticle size.Fil: Oviedo, Oscar Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; ArgentinaFil: Mariscal, Marcelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; ArgentinaFil: Leiva, Ezequiel Pedro M.. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; ArgentinaRoyal Society of Chemistry2010-04info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/70465Oviedo, Oscar Alejandro; Mariscal, Marcelo; Leiva, Ezequiel Pedro M.; On the occurrence of stable and supersaturated metastable states in metallic core-shell nanoparticles; Royal Society of Chemistry; Physical Chemistry Chemical Physics; 12; 18; 4-2010; 4580-45891463-9076CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://pubs.rsc.org/en/Content/ArticleLanding/2010/CP/b924348h#!divAbstractinfo:eu-repo/semantics/altIdentifier/doi/10.1039/B924348Hinfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-22T12:03:36Zoai:ri.conicet.gov.ar:11336/70465instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-10-22 12:03:37.073CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv On the occurrence of stable and supersaturated metastable states in metallic core-shell nanoparticles
title On the occurrence of stable and supersaturated metastable states in metallic core-shell nanoparticles
spellingShingle On the occurrence of stable and supersaturated metastable states in metallic core-shell nanoparticles
Oviedo, Oscar Alejandro
NANOPARTICLE
title_short On the occurrence of stable and supersaturated metastable states in metallic core-shell nanoparticles
title_full On the occurrence of stable and supersaturated metastable states in metallic core-shell nanoparticles
title_fullStr On the occurrence of stable and supersaturated metastable states in metallic core-shell nanoparticles
title_full_unstemmed On the occurrence of stable and supersaturated metastable states in metallic core-shell nanoparticles
title_sort On the occurrence of stable and supersaturated metastable states in metallic core-shell nanoparticles
dc.creator.none.fl_str_mv Oviedo, Oscar Alejandro
Mariscal, Marcelo
Leiva, Ezequiel Pedro M.
author Oviedo, Oscar Alejandro
author_facet Oviedo, Oscar Alejandro
Mariscal, Marcelo
Leiva, Ezequiel Pedro M.
author_role author
author2 Mariscal, Marcelo
Leiva, Ezequiel Pedro M.
author2_role author
author
dc.subject.none.fl_str_mv NANOPARTICLE
topic NANOPARTICLE
purl_subject.fl_str_mv https://purl.org/becyt/ford/2.10
https://purl.org/becyt/ford/2
dc.description.none.fl_txt_mv Following the framework established by Hill and Chamberlin [T. L. Hill and R. V. Chamberlin, Proc. Natl. Acad. Sci. U. S. A., 1998, 95, 12779] to analyze the extension of thermodynamics of small systems to metastable states, we have adopted the same basic ideas to study the thermodynamic stability of core-shell nanoparticles. For the first time we are able to address the question of whether or not core-shell nanoparticles have a limit of stability when they are under oversaturation conditions. By the latter, we mean the excess of chemical potential of the adsorbate (shell) atoms with respect to its bulk material, which is the driving force for nanoparticle growth. In this situation the probability density exhibits multiple local maxima associated with different core-shell metastable states. The decrease of the free energy barriers for the growth of the bulk phase of the shell material is analyzed for increasing oversaturation. At large positive oversaturations, the barrier disappears and the core-shell NP become unstable with respect to the bulk deposit of the shell material. A brief discussion on the model is made illustrating its application to a specific system by means of computer simulations using realistic interatomic potentials. One of the most striking results of these specific studies is the occurrence or not of a core-shell under undersaturation conditions depending on nanoparticle size.
Fil: Oviedo, Oscar Alejandro. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Mariscal, Marcelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
Fil: Leiva, Ezequiel Pedro M.. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Instituto de Investigaciones en Físico-química de Córdoba. Universidad Nacional de Córdoba. Facultad de Ciencias Químicas. Instituto de Investigaciones en Físico-química de Córdoba; Argentina
description Following the framework established by Hill and Chamberlin [T. L. Hill and R. V. Chamberlin, Proc. Natl. Acad. Sci. U. S. A., 1998, 95, 12779] to analyze the extension of thermodynamics of small systems to metastable states, we have adopted the same basic ideas to study the thermodynamic stability of core-shell nanoparticles. For the first time we are able to address the question of whether or not core-shell nanoparticles have a limit of stability when they are under oversaturation conditions. By the latter, we mean the excess of chemical potential of the adsorbate (shell) atoms with respect to its bulk material, which is the driving force for nanoparticle growth. In this situation the probability density exhibits multiple local maxima associated with different core-shell metastable states. The decrease of the free energy barriers for the growth of the bulk phase of the shell material is analyzed for increasing oversaturation. At large positive oversaturations, the barrier disappears and the core-shell NP become unstable with respect to the bulk deposit of the shell material. A brief discussion on the model is made illustrating its application to a specific system by means of computer simulations using realistic interatomic potentials. One of the most striking results of these specific studies is the occurrence or not of a core-shell under undersaturation conditions depending on nanoparticle size.
publishDate 2010
dc.date.none.fl_str_mv 2010-04
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/70465
Oviedo, Oscar Alejandro; Mariscal, Marcelo; Leiva, Ezequiel Pedro M.; On the occurrence of stable and supersaturated metastable states in metallic core-shell nanoparticles; Royal Society of Chemistry; Physical Chemistry Chemical Physics; 12; 18; 4-2010; 4580-4589
1463-9076
CONICET Digital
CONICET
url http://hdl.handle.net/11336/70465
identifier_str_mv Oviedo, Oscar Alejandro; Mariscal, Marcelo; Leiva, Ezequiel Pedro M.; On the occurrence of stable and supersaturated metastable states in metallic core-shell nanoparticles; Royal Society of Chemistry; Physical Chemistry Chemical Physics; 12; 18; 4-2010; 4580-4589
1463-9076
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://pubs.rsc.org/en/Content/ArticleLanding/2010/CP/b924348h#!divAbstract
info:eu-repo/semantics/altIdentifier/doi/10.1039/B924348H
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
dc.publisher.none.fl_str_mv Royal Society of Chemistry
publisher.none.fl_str_mv Royal Society of Chemistry
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
_version_ 1846782379215028224
score 12.982451

Publicaciones similares